5LI3
Crystal structure of HDAC-like protein from P. aeruginosa in complex with a photo-switchable inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-04 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0002 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 82.190, 82.190, 217.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.000 - 2.400 |
| R-factor | 0.22698 |
| Rwork | 0.225 |
| R-free | 0.27013 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g0x |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.391 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.240 | 0.920 |
| Number of reflections | 41043 | |
| <I/σ(I)> | 6.5 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.1 | 11.8 |
| CC(1/2) | 0.988 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.5M potassium hydrogen phosphate 0.5M sodium hydrogen phosphate 0.1M ammonium sulphate |
